2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-(benzotriazol-1-yloxy)-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;quinolin-6-amine — IUPAC name, SMILES, InChIKey & properties

Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-(benzotriazol-1-yloxy)-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;quinolin-6-amine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-(benzotriazol-1-yloxy)-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;quinolin-6-amine

2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-(benzotriazol-1-yloxy)-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;quinolin-6-amine (PubChem CID 158573320) has the molecular formula C86H73Cl4N27O9 and a molecular weight of 1770.52 g/mol. Its IUPAC name is 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-(benzotriazol-1-yloxy)-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;quinolin-6-amine.

Molecular Properties

Compound Name	2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-(benzotriazol-1-yloxy)-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;quinolin-6-amine
PubChem CID	158573320
Molecular Formula	C86H73Cl4N27O9
Molecular Weight	1770.52 g/mol
Exact Mass	1767.48
IUPAC Name	2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-(benzotriazol-1-yloxy)-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;quinolin-6-amine
SMILES	CCOC(=O)c1cnc(Cl)nc1Cl.CCOC(=O)c1cnc(Cl)nc1Nc1ccc2ncccc2c1.NC(=O)c1cnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1ccc2ncccc2c1.NC(=O)c1cnc(On2nnc3ccccc32)nc1Nc1ccc2ncccc2c1.Nc1ccc2ncccc2c1.O=C(O)c1cnc(Cl)nc1Nc1ccc2ncccc2c1
InChI	InChI=1S/C20H14N8O2.C20H23N7O.C16H13ClN4O2.C14H9ClN4O2.C9H8N2.C7H6Cl2N2O2/c21-18(29)14-11-23-20(30-28-17-6-2-1-5-16(17)26-27-28)25-19(14)24-13-7-8-15-12(10-13)4-3-9-22-15;21-15-5-1-2-6-17(15)26-20-24-11-14(18(22)28)19(27-20)25-13-7-8-16-12(10-13)4-3-9-23-16;1-2-23-15(22)12-9-19-16(17)21-14(12)20-11-5-6-13-10(8-11)4-3-7-18-13;15-14-17-7-10(13(20)21)12(19-14)18-9-3-4-11-8(6-9)2-1-5-16-11;10-8-3-4-9-7(6-8)2-1-5-11-9;1-2-13-6(12)4-3-10-7(9)11-5(4)8/h1-11H,(H2,21,29)(H,23,24,25);3-4,7-11,15,17H,1-2,5-6,21H2,(H2,22,28)(H2,24,25,26,27);3-9H,2H2,1H3,(H,19,20,21);1-7H,(H,20,21)(H,17,18,19);1-6H,10H2;3H,2H2,1H3/t;15-,17+;;;;/m.0..../s1
InChIKey	HSITUHKCRXZTGB-VSLUSTGZSA-N
XLogP	15.50
TPSA	521.56 Å²
H-Bond Donors	10
H-Bond Acceptors	33
Rotatable Bonds	19
Heavy Atoms	126
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1770.52
LogP ≤ 5	15.50
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-(benzotriazol-1-yloxy)-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;quinolin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-(benzotriazol-1-yloxy)-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;quinolin-6-amine?

The IUPAC name of 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-(benzotriazol-1-yloxy)-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;quinolin-6-amine (CID 158573320) is 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-(benzotriazol-1-yloxy)-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;quinolin-6-amine.

What is the SMILES notation for 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-(benzotriazol-1-yloxy)-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;quinolin-6-amine?

The canonical SMILES for 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-(benzotriazol-1-yloxy)-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;quinolin-6-amine is CCOC(=O)c1cnc(Cl)nc1Cl.CCOC(=O)c1cnc(Cl)nc1Nc1ccc2ncccc2c1.NC(=O)c1cnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1ccc2ncccc2c1.NC(=O)c1cnc(On2nnc3ccccc32)nc1Nc1ccc2ncccc2c1.Nc1ccc2ncccc2c1.O=C(O)c1cnc(Cl)nc1Nc1ccc2ncccc2c1.

What is the InChIKey of 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-(benzotriazol-1-yloxy)-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;quinolin-6-amine?

The InChIKey is HSITUHKCRXZTGB-VSLUSTGZSA-N. The full InChI is InChI=1S/C20H14N8O2.C20H23N7O.C16H13ClN4O2.C14H9ClN4O2.C9H8N2.C7H6Cl2N2O2/c21-18(29)14-11-23-20(30-28-17-6-2-1-5-16(17)26-27-28)25-19(14)24-13-7-8-15-12(10-13)4-3-9-22-15;21-15-5-1-2-6-17(15)26-20-24-11-14(18(22)28)19(27-20)25-13-7-8-16-12(10-13)4-3-9-23-16;1-2-23-15(22)12-9-19-16(17)21-14(12)20-11-5-6-13-10(8-11)4-3-7-18-13;15-14-17-7-10(13(20)21)12(19-14)18-9-3-4-11-8(6-9)2-1-5-16-11;10-8-3-4-9-7(6-8)2-1-5-11-9;1-2-13-6(12)4-3-10-7(9)11-5(4)8/h1-11H,(H2,21,29)(H,23,24,25);3-4,7-11,15,17H,1-2,5-6,21H2,(H2,22,28)(H2,24,25,26,27);3-9H,2H2,1H3,(H,19,20,21);1-7H,(H,20,21)(H,17,18,19);1-6H,10H2;3H,2H2,1H3/t;15-,17+;;;;/m.0..../s1.

What are the key properties of 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-(benzotriazol-1-yloxy)-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;quinolin-6-amine?

Where does this data come from?

All data for 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-(benzotriazol-1-yloxy)-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;quinolin-6-amine is sourced from PubChem (CID 158573320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).